Zirconium(IV) Butoxide (ca. 80% in 1-Butanol)

• CAS: 1071-76-7
• Catalog Number: ACM1071767
• Category: Main Products
• Molecular Weight: 383.684g/mol
• Molecular Formula: C16H36O4Zr
• Synonyms: zirconium(4+); EINECS 213-995-3; ANW-41190; BSDOQSMQCZQLDV-UHFFFAOYSA-N; Butyl zirconate; ZIRCONIUMN-BUTOXIDE; NSC 509366; Zirconium(IV) butoxide solution; UNII-4Y12FB798J; butan-1-olate
• IUPAC Name: butan-1-olate;zirconium(4+)
• Canonical SMILES: CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Zr+4]
• InChI: InChI=1S/4C4H9O.Zr/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4
• InChI Key: BSDOQSMQCZQLDV-UHFFFAOYSA-N
• Application: Condensation catalyst and cross-linking agent.
• Complexity: 13.1
• Covalently-Bonded Unit Count: 5
• EC Number: 213-995-3
• Exact Mass: 382.166g/mol
• H-Bond Acceptor: 4
• Heavy Atom Count: 21
• Monoisotopic Mass: 382.166g/mol
• Physical Description: Liquid
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 92.2A^2
• UNII: 4Y12FB798J

Case Study

Zirconium(IV) Butoxide as Precursor to Prepare Zirconia with Different Crystal Structures

Teeparthi S R, et al. Scientific reports, 2018, 8(1), 5541.

Zirconium(IV) butoxide is used as a precursor to produce zirconia, and nanocrystalline white and black zirconia are produced respectively through pyrolysis at different temperatures. The two types of zirconia have different crystal structures. Among them, white zirconia with a monoclinic crystal structure shows better photocatalytic degradation performance of methylene blue dye.
Preparation of zirconium oxide by zirconium(IV) butoxide
· A volume of 8 ml of zirconium butoxide was subjected to pyrolysis in a tubular furnace with a constant heating rate of 5 °C/min in the presence of air, at temperatures ranging from 900-1400 °C.
· The precursor was maintained at the pyrolysis temperature for four hours, followed by cooling in the furnace to room temperature, leading to the conversion of the organic precursor to inorganic zirconia.
· The resulting ZrO2 lumps were crushed using an agate mortar and pestle. Additionally, a comparison was made by directly pyrolyzing the precursor at 900 °C in a reduced atmosphere of 5% H2 + Ar to produce black ZrO2.
· The investigation focused on characterizing samples processed under different temperature and atmospheric conditions to analyze the effects of crystal size, crystal structure, and defects on photocatalytic properties.

Zirconium Butoxide for The Synthesis of ZrC-TiC Blends via Sol-Gel Method

Umalas M, et al. Key Engineering Materials, 2013, 527, 62-67.

Using titanium(IV) butoxide [Ti(OC4H9)4] and zirconium(IV) butoxide [Zr(OC4H9)4] as metal sources and hydroquinone as carbon source, binary mixtures of titanium carbide and zirconium carbide (ZrC-TiC) can be prepared through sol-gel treatment and carbothermal reduction. The binary solid carbide mixtures of (ZrC-TiC) are of particular interest in ultra-high temperature applications.
Synthesis procedure of ZrC-TiC blends
· The ZrCTiC polymeric precursor was prepared by dissolving Ti(OC4H9)4, Zr(OC4H9)4, AcAc and Hydroquinol in 10 ml 1-butanol with molar ratio of 0.01:0.01:0,044:0,048.
· Initially, Ti(OC4H9)4 and Zr(OC4H9)4 were mixed and dissolved in 1-butanol under argon (Ar) in a round-bottom flask, and the solutions were heated at 50°C for 1 h to stir the metal alkoxides homogeneously.
· Then, acetylacetone (AcAc) was dropped to at 50 °C the heated solution stirring for another 1 h.
· The next step was an increase in the temperature of the solutions up to 80°C and addition of a hydroquinone. Afterwards the solutions were further heated up to reaction temperatures (120 °C) and concentrated by evaporation of the solvent.
· The solution was subsequently dried at 150°C to obtain a dark red polymer gel powder. The dried ZrC-TiC precursor was annealed in a graphite boat using an alumina tube furnace in an inert atmosphere (argon) and/or a vacuum furnace at 40-1500 °C.

Custom Reviews

March 7, 2023

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An additive for protective coating
The zirconia polycrystal gel prepared from Zirconium(IV) butoxide (ca. 80% in 1-butanol) can be used as protective coating for steel and ferroalloy.

Custom Q&A

What is the molecular structure of zirconium(IV) butoxide ?

What is the molecular weight of zirconium(IV) butoxide ?

383.68

What is the vapor pressure of zirconium(IV) butoxide?

5.6hPa at 20℃

What is the specific weight of zirconium(IV) butoxide

1.063

What is the form of zirconium(IV) butoxide?

Orange liquid

What is the boiling point of zirconium(IV) butoxide?

117°C

What is the refractive index of zirconium(IV) butoxide?

n20/D 1.465n20/D 1.465

What is the flash point of zirconium(IV) butoxide ?

38°C

What is the application of zirconium(IV) butoxide ?

It is used for the preparation of nano-zirconium dioxide (ultra-fine zirconium dioxide) films and powders, which are widely used in the field of new high-tech materials such as anti-glare, anti-radiation and anti-static functions of various electronic screens and oxygen sensors and transmitters, inorganic membrane materials and fine ceramics for high temperature resistance, etc.

What is the storage condition of zirconium(IV) butoxide？

Zirconium(IV) butoxide should be store under a dry inert gas, keep the container sealed and store in a cool, dry place